N-(2-azanyl-4-bromanyl-phenyl)-2-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]oxy-ethanamide

Systemtic Name: N-(2-azanyl-4-bromanyl-phenyl)-2-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]oxy-ethanamide Openeye Name: N-(2-amino-4-bromo-phenyl)-2-[4-(3-ethynylanilino)quinazolin-6-yl]oxy-acetamide CAS Name: N-(2-amino-4-bromophenyl)-2-[[4-(3-ethynylanilino)-6-quinazolinyl]oxy]acetamide IUPAC Name: N-(2-amino-4-bromophenyl)-2-[4-(3-ethynylanilino)quinazolin-6-yl]oxyacetamide Traditional Name: N-(2-amino-4-bromo-phenyl)-2-[4-(3-ethynylanilino)quinazolin-6-yl]oxy-acetamide Formula: C24H18BrN5O2 MolecularWeight: 488.33602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)OCC(=O)NC4=C(C=C(C=C4)Br)N

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)OCC(=O)NC4=C(C=C(C=C4)Br)N

InChI

InChI=1S/C24H18BrN5O2/c1-2-15-4-3-5-17(10-15)29-24-19-12-18(7-9-21(19)27-14-28-24)32-13-23(31)30-22-8-6-16(25)11-20(22)26/h1,3-12,14H,13,26H2,(H,30,31)(H,27,28,29)